sodium; 4-[(4-chloranyl-2-oxidanidyl-phenyl)diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate; chromium(3+)

Systemtic Name: sodium; 4-[(4-chloranyl-2-oxidanidyl-phenyl)diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate; chromium(3+) Openeye Name: chromic sodium 4-(4-chloro-2-oxido-phenyl)azo-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: sodium; 4-(4-chloro-2-oxidophenyl)azo-5-methyl-2-phenyl-3-pyrazololate; chromium(3+) IUPAC Name: sodium; 4-[(4-chloro-2-oxidophenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-olate; chromium(3+) Traditional Name: chromic sodium 4-(4-chloro-2-oxido-phenyl)azo-5-methyl-2-phenyl-pyrazol-3-olate Formula: C32H22Cl2CrN8NaO4 MolecularWeight: 728.46015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=C(C=C(C=C2)Cl)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)Cl)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=C(C=C(C=C2)Cl)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)Cl)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]

InChI

InChI=1S/2C16H13ClN4O2.Cr.Na/c2*1-10-15(19-18-13-8-7-11(17)9-14(13)22)16(23)21(20-10)12-5-3-2-4-6-12;;/h2*2-9,22-23H,1H3;;/q;;+3;+1/p-4